Name: {2-ethyl-4-[({2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl}methyl)thio]phenoxy}acetic acid
SMILES:
CCc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)oc2C)ccc1OCC(=O)OMolecular Processing
Molecular formula
C23H21F3O4S
Molecular weight
450.48
Exact mass
450.1113
XLogP
6.59
TPSA
59.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
112.39
Supplementary Information
Details werden geladen…
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